5FUY
catalytic domain of Thymidine kinase from Trypanosoma brucei with dTMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PIXEL |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 87.614, 96.999, 304.431 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 152.220 - 2.800 |
| R-factor | 0.21019 |
| Rwork | 0.208 |
| R-free | 0.24344 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5fuv |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.595 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.020 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.100 | 0.370 |
| Number of reflections | 31168 | |
| <I/σ(I)> | 8.5 | 2.7 |
| Completeness [%] | 95.9 | 98.7 |
| Redundancy | 5.6 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.15 M DL-MALIC ACID PH 7.0, 20% (W/V) PEG 3350, 1 MM TMP, 1 MM APPNHP, 3 MM MGCL2, PLUS SEEDING |
